def testPointDefectConstruction(self): identifiers=[(2, (0, 0)), (3, (0, 0)), ] surface = Ge001 defect = SurfacePointDefect( surface=surface, identifiers=identifiers) pos1 = defect.removedAtoms(coordinates='orth_surface').get_positions().mean(0) pos = [pos1] name = 'Test' added_atoms = Atoms('Ag', pos) test = Diamond001PointDefect( name=name, symbol='Ge', identifiers=identifiers, added_atoms=added_atoms, ) self.assertEqual(test.name(), name)